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Niu HUANG Principle Investigator Computational Chemistry Laboratory
Dr. Niu Huang earned his undergraduate degree in Physics from Nankai University. He received his doctoral degree in computational chemistry from University of Maryland at Baltimore, and followed by four years postdoctoral training at University of California at San Francisco. He is currently a principle investigator at National Institute of Biological Sciences (NIBS), Beijing. He has authored and coauthored over 50 peer-reviewed publications in leading journals in the field, with the most cited research paper of more than 1,000 citations. He has applied eight international drug patents, with two patents granted in major countries. Niu received the outstanding WuXi PharmaTech Life Science and Chemistry Awards in 2013, and Beijing Oversea Talent program in 2014. Dr. Niu Huang has devoted his scientific career to research on understanding of the physical basis behind the molecular recognition. More specifically, his lab is developing and applying physics-based computational chemistry approaches to predict the binding free energy of protein-ligand interactions, including the development of a unique hierarchical virtual screening platform to strike the balance of efficiency and accuracy, the implementation of a binding-site water displaceable free-energy calculation in molecular docking, and more recently, developing a quantum physics-based molecular interaction energy calculation approach driven by the deep learning techniques.
Research More >
Our laboratory is interested in developing and applying computational techniques to study the structural and energetic basis of molecular recognition.